2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide

C14H29N3O2 — CID 110923804

IUPAC2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCN(CCCCCO)CC1
InChIInChI=1S/C14H29N3O2/c1-15(2)14(19)13-17-9-6-8-16(10-11-17)7-4-3-5-12-18/h18H,3-13H2,1-2H3
InChIKeyGNTIPZFDFMPGLC-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.24
Rot. Bonds7

About 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide

2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 110923804) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID110923804
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCN(CCCCCO)CC1
InChIInChI=1S/C14H29N3O2/c1-15(2)14(19)13-17-9-6-8-16(10-11-17)7-4-3-5-12-18/h18H,3-13H2,1-2H3
InChIKeyGNTIPZFDFMPGLC-UHFFFAOYSA-N
XLogP0.24
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
1-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]propan-1-one
CID 110923851
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 110923804) is 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCN(CCCCCO)CC1.
What is the InChIKey of 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is GNTIPZFDFMPGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-15(2)14(19)13-17-9-6-8-16(10-11-17)7-4-3-5-12-18/h18H,3-13H2,1-2H3.
What are the key properties of 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 271.40 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 110923804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).